N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

C32H29F2N3O3 — CID 71186981

IUPACN-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
SMILESCOc1cc(C)c(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(O)cc23)c(C)c1
InChIInChI=1S/C32H29F2N3O3/c1-18-9-25(40-3)10-19(2)31(18)26-5-4-8-35-32(26)29(13-20-11-22(33)15-23(34)12-20)37-30(39)14-21-17-36-28-7-6-24(38)16-27(21)28/h4-12,15-17,29,36,38H,13-14H2,1-3H3,(H,37,39)
InChIKeyVHGYPLLPSSSVEZ-UHFFFAOYSA-N
MW541.60 g/mol
LogP6.48
Rot. Bonds8

About N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (PubChem CID 71186981) has the molecular formula C32H29F2N3O3 and a molecular weight of 541.60 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
PubChem CID71186981
Molecular FormulaC32H29F2N3O3
Molecular Weight541.60 g/mol
Exact Mass541.22
IUPAC NameN-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
SMILESCOc1cc(C)c(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(O)cc23)c(C)c1
InChIInChI=1S/C32H29F2N3O3/c1-18-9-25(40-3)10-19(2)31(18)26-5-4-8-35-32(26)29(13-20-11-22(33)15-23(34)12-20)37-30(39)14-21-17-36-28-7-6-24(38)16-27(21)28/h4-12,15-17,29,36,38H,13-14H2,1-3H3,(H,37,39)
InChIKeyVHGYPLLPSSSVEZ-UHFFFAOYSA-N
XLogP6.48
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.60
LogP ≤ 56.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (CID 71186981) is N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is COc1cc(C)c(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(O)cc23)c(C)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The InChIKey is VHGYPLLPSSSVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F2N3O3/c1-18-9-25(40-3)10-19(2)31(18)26-5-4-8-35-32(26)29(13-20-11-22(33)15-23(34)12-20)37-30(39)14-21-17-36-28-7-6-24(38)16-27(21)28/h4-12,15-17,29,36,38H,13-14H2,1-3H3,(H,37,39).
What are the key properties of N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide has a molecular weight of 541.60 g/mol, XLogP of 6.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 71186981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).